1-Tetradecanethiol - ≥95% , CAS No.2079-95-0

CAS: 2079-95-0 Cat. No.: T670309 Fórmula: C₁₄H₃₀S Peso molecular: 230.45 Beilstein Registry Number: 1(4)1867 Número EC: 218-209-2 PubChem CID: 64677

CALIDAD & PUREZA ≥95%

Synonyms

Myristyl Mercaptan | Tetradecyl Mercaptan

Storage

Room temperature,Argon charged

Shipped In

Normal

Especificaciones

Sinónimos

Myristyl Mercaptan | Tetradecyl Mercaptan

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

528754368

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528754368

Sonrisas canónicas

CCCCCCCCCCCCCCS

IUPAC Name

tetradecane-1-thiol

InChIKey

GEKDEMKPCKTKEC-UHFFFAOYSA-N

INCHI

1S/C14H30S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3

Isómeros SMILES

CCCCCCCCCCCCCCS

PubChem CID

64677

Peso molecular

230.45

Beilstein

1(4)1867

Reaxy-Rn

1742653

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thiols
      • Subclass Alkylthiols

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thiols
• Subclass: Alkylthiols
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylthiols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkylthiol - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Sensibilidad: air sensitive
• Índice de refracción: 1.46
• Punto de ebullición (°C): 310 °C
• Punto de fusión (°C): 7 °C
• Peso molecular: 230.460 g/mol
• XLogP3: 7.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 12
• Exact Mass: 230.207 Da
• Monoisotopic Mass: 230.207 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 102.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1